Concepedia

Linear-scaling Algorithms

Linear-Scaling Algorithms is a computational method in quantum chemistry whose time and memory requirements scale asymptotically linear with the system size, enabling efficient electronic structure calculations for large molecules by exploiting spatial locality of electronic interactions.

467

Publications

72.9K

Citations

977

Authors

412

Institutions

Publications per year

2017–2026

78

Variants

Linear Scaling MethodsO(n) Algorithms

Parents

Publications

467

Energies, structures, and electronic properties of molecules in solution with the C‐PCM solvation model

Maurizio Cossi, Nadia Rega, Giovanni Scalmani et al. · Journal of Computational Chemistry · 2003 · 7.9K citations

, , +14

A grid-based Bader analysis algorithm without lattice bias

Wenjie Tang, Edward Sanville, Graeme Henkelman · Journal of Physics Condensed Matter · 2009 · 7.5K citations

, , +12

Improved grid‐based algorithm for Bader charge allocation

Edward Sanville, S.D. Kenny, Roger Smith et al. · Journal of Computational Chemistry · 2007 · 4.2K citations · Full text

, , +13

CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations

Thomas D. Kühne, Marcella Iannuzzi, Mauro Del Ben et al. · The Journal of Chemical Physics · 2020 · 4.1K citations · Full text

, , +17

Self-consistent order-<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>N</mml:mi></mml:math>density-functional calculations for very large systems

Pablo Ordejón, Emilio Artacho, José M. Soler · Physical review. B, Condensed matter · 1996 · 2.6K citations · Full text

, , +17

1–5 of 467

Authors

977

  1. CO
    Christian Ochsenfeld

    Ludwig-Maximilians-Universität München, Germany

    22 publications · 1.5K citations

    20

    h-index

  2. MC
    Matt Challacombe

    Los Alamos National Laboratory, United States

    13 publications · 1.3K citations

    13

    h-index

  3. MH
    Martin Head‐Gordon

    University of California, Berkeley, United States

    13 publications · 2.9K citations

    13

    h-index

  4. GE
    Gustavo E. Scuseria

    Rice University, United States

    13 publications · 2.4K citations

    13

    h-index

  5. PV
    Priya Vashishta

    University of Southern California, United States

    10 publications · 504 citations

    10

    h-index

1–5 of 977

Institutions

412

  1. Lawrence Berkeley National Laboratory

    Berkeley, United States

    17 h-index

    47 publications

    12.2K citations

  2. University of California, Berkeley

    Berkeley, United States

    15 h-index

    41 publications

    9.7K citations

  3. University of Cambridge

    Cambridge, United Kingdom

    14 h-index

    29 publications

    1.8K citations

  4. University College London

    London, United Kingdom

    14 h-index

    35 publications

    3.3K citations

  5. Rice University

    Houston, United States

    13 h-index

    27 publications

    4.5K citations

  6. Ludwig-Maximilians-Universität München

    Munich, Germany

    13 h-index

    37 publications

    2.3K citations

  7. Los Alamos National Laboratory

    Los Alamos, United States

    12 h-index

    36 publications

    1.5K citations

  8. Japan Science and Technology Agency

    Tokyo, Japan

    12 h-index

    25 publications

    787 citations

1–8 of 412

Venues

  1. The Journal of Chemical Physics

    125 publications · 19.2K citations

    64

    h-index

  2. Journal of Chemical Theory and Computation

    JCTC · 41 publications · 3.3K citations

    27

    h-index

  3. Journal of Computational Chemistry

    29 publications · 15.1K citations

    21

    h-index

  4. Physical review. B, Condensed matter

    PRB · 17 publications · 5.3K citations

    15

    h-index

  5. Journal of Physics Condensed Matter

    17 publications · 8.3K citations

    15

    h-index

1–5